3-butyl-2-ethanoyl-3-oxidanidylcarbothioyl-2-oxidanyl-heptanoate

Systemtic Name: 3-butyl-2-ethanoyl-3-oxidanidylcarbothioyl-2-oxidanyl-heptanoate Openeye Name: 2-acetyl-3-butyl-2-hydroxy-3-oxidocarbothioyl-heptanoate CAS Name: 2-acetyl-3-butyl-2-hydroxy-3-[oxido(sulfanylidene)methyl]heptanoate IUPAC Name: 2-acetyl-3-butyl-2-hydroxy-3-oxidocarbothioylheptanoate Traditional Name: 2-acetyl-3-butyl-2-hydroxy-3-thiocarboxylato-enanthate Formula: C14H22O5S-2 MolecularWeight: 302.38648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(=S)[O-])C(C(=O)C)(C(=O)[O-])O

Isomeric SMILES

CCCCC(CCCC)(C(=S)[O-])C(C(=O)C)(C(=O)[O-])O

InChI

InChI=1S/C14H24O5S/c1-4-6-8-13(12(18)20,9-7-5-2)14(19,10(3)15)11(16)17/h19H,4-9H2,1-3H3,(H,16,17)(H,18,20)/p-2